3-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
3-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-9007 |
| Compound Name: | 3-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 485.57 |
| Molecular Formula: | C26 H28 F N O5 S |
| Smiles: | CC(C)CC(N(Cc1ccc(cc1)F)Cc1cccc(c1)OS(c1ccc(cc1)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0448 |
| logD: | 5.0448 |
| logSw: | -4.8035 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.227 |
| InChI Key: | JDLYBEABCQEKLE-UHFFFAOYSA-N |